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Acetyl-CoA

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Identification
Molecular formula
C23H38N7O17P3S
CAS number
72-89-9
IUPAC name
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate
State
State

Acetyl-CoA at room temperature is primarily found in solid form. However, due to its biochemical significance, it is often handled in aqueous solutions in laboratory environments for experiments.

Melting point (Celsius)
51.00
Melting point (Kelvin)
324.15
Boiling point (Celsius)
65.00
Boiling point (Kelvin)
338.15
General information
Molecular weight
809.55g/mol
Molar mass
809.5510g/mol
Density
1.5352g/cm3
Appearence

Acetyl-CoA is a white to off-white powder. It is typically encountered in a laboratory setting in its solid form. It is not a compound with obvious color characteristics.

Comment on solubility

Solubility of S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate

The compound with the chemical formula C23H38N7O17P3S exhibits interesting solubility characteristics due to its complex structure comprising multiple functional groups.

Key points regarding its solubility:

  • The presence of several hydroxyl (-OH) groups often enhances solubility in polar solvents, such as water.
  • Phosphoryl groups can also contribute to solubility by interacting with water molecules through hydrogen bonding.
  • However, the large hydrophobic regions introduced by the aliphatic chains and aromatic systems can decrease solubility in water, making the overall solubility profile nuanced.
  • Compounds of this nature might show better solubility in organic solvents like methanol or ethanol due to their diverse polar characteristics.

In summary, the solubility of S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate is expected to be affected by its intricate structure and various functional groups. As such, it is crucial to consider both polar and hydrophobic interactions when researching its solubility behavior in different solvents.

Interesting facts

Interesting Facts about S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate

This compound is a fascinating example of the complexity often found in biochemical intermediates and drug-like molecules. Here are some noteworthy aspects that highlight its significance:

  • Biological Relevance: The compound has ties to important biological processes, particularly in the synthesis of nucleotides and their derivatives, which are essential for DNA and RNA function.
  • Structural Complexity: Featuring an intricate arrangement of functional groups, including phosphates, amino acids, and sugar derivatives, it showcases the biochemical diversity that can exist within a single molecule.
  • Phosphorylation: The presence of multiple phosphono groups suggests a potential role in signaling pathways or energy transfer processes, making it relevant in studies of cellular metabolism.
  • Stereochemistry: With defined stereocenters, the compound displays chirality, underlining the importance of three-dimensional structure in biological activity. As R and S configurations dictate interactions with enzymes and receptors, understanding its stereochemistry is crucial for pharmacology.
  • Research Implications: Molecules of this nature often serve as lead compounds in drug discovery, inspiring modifications that can enhance their therapeutic efficacy or reduce side effects.

In summary, this compound not only represents the sophistication inherent in biochemical substances but also serves as a reminder of the ongoing possibilities that exist within the realm of medicinal chemistry. As noted by chemists around the globe, "the beauty of complexity in chemical structures reflects the elegance of nature’s design."

Synonyms
Acetyl-Coenzyme A
Acetyl CoA
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
MFCD00078858
102029-73-2
Acetyl-S- CoA
Acetyl coenzyme A (C2:0)
SCHEMBL14593550
MCC6943